CID 5318939

Lanyuamide i

Structural Information

Molecular Formula
C18H31NO2
SMILES
CCCCCCC(=O)CC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C18H31NO2/c1-4-5-6-9-12-17(20)13-10-7-8-11-14-18(21)19-15-16(2)3/h7-8,11,14,16H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)/b8-7+,14-11+
InChIKey
AMCKSJIHLFXIIZ-DQBULIGTSA-N
Compound name
(2E,4E)-N-(2-methylpropyl)-8-oxotetradeca-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

293.23547 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 179.7
[M+Na]+ 316.22469 181.8
[M-H]- 292.22819 178.2
[M+NH4]+ 311.26929 194.8
[M+K]+ 332.19863 178.3
[M+H-H2O]+ 276.23273 173.0
[M+HCOO]- 338.23367 198.9
[M+CH3COO]- 352.24932 209.0
[M+Na-2H]- 314.21014 176.9
[M]+ 293.23492 182.6
[M]- 293.23602 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe